4,5-dimethylacridine-9-carboxylate

C16H12NO2- — CID 7095758

IUPAC4,5-dimethylacridine-9-carboxylate
SMILESCc1cccc2c(C(=O)[O-])c3cccc(C)c3nc12
InChIInChI=1S/C16H13NO2/c1-9-5-3-7-11-13(16(18)19)12-8-4-6-10(2)15(12)17-14(9)11/h3-8H,1-2H3,(H,18,19)/p-1
InChIKeyLDRZBMBJYZPRFT-UHFFFAOYSA-M
MW250.28 g/mol
LogP2.37
Rot. Bonds1

About 4,5-dimethylacridine-9-carboxylate

4,5-dimethylacridine-9-carboxylate (PubChem CID 7095758) has the molecular formula C16H12NO2- and a molecular weight of 250.28 g/mol. Its IUPAC name is 4,5-dimethylacridine-9-carboxylate.

Molecular Properties

Compound Name4,5-dimethylacridine-9-carboxylate
PubChem CID7095758
Molecular FormulaC16H12NO2-
Molecular Weight250.28 g/mol
Exact Mass250.09
IUPAC Name4,5-dimethylacridine-9-carboxylate
SMILESCc1cccc2c(C(=O)[O-])c3cccc(C)c3nc12
InChIInChI=1S/C16H13NO2/c1-9-5-3-7-11-13(16(18)19)12-8-4-6-10(2)15(12)17-14(9)11/h3-8H,1-2H3,(H,18,19)/p-1
InChIKeyLDRZBMBJYZPRFT-UHFFFAOYSA-M
XLogP2.37
TPSA53.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.28
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4,5-dimethylacridine-9-carboxylate?
The IUPAC name of 4,5-dimethylacridine-9-carboxylate (CID 7095758) is 4,5-dimethylacridine-9-carboxylate.
What is the SMILES notation for 4,5-dimethylacridine-9-carboxylate?
The canonical SMILES for 4,5-dimethylacridine-9-carboxylate is Cc1cccc2c(C(=O)[O-])c3cccc(C)c3nc12.
What is the InChIKey of 4,5-dimethylacridine-9-carboxylate?
The InChIKey is LDRZBMBJYZPRFT-UHFFFAOYSA-M. The full InChI is InChI=1S/C16H13NO2/c1-9-5-3-7-11-13(16(18)19)12-8-4-6-10(2)15(12)17-14(9)11/h3-8H,1-2H3,(H,18,19)/p-1.
What are the key properties of 4,5-dimethylacridine-9-carboxylate?
4,5-dimethylacridine-9-carboxylate has a molecular weight of 250.28 g/mol, XLogP of 2.37, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethylacridine-9-carboxylate is sourced from PubChem (CID 7095758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).